==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 27-JUN-08 2ZP6 . COMPND 2 MOLECULE: INSULIN A CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR S.M.JAIMOHAN,M.D.NARESH,A.B.MANDAL . 102 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6010.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 73 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 8 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 1 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A G > 0 0 63 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-131.7 -21.4 23.9 -12.3 2 2 A I H > + 0 0 12 47,-0.3 4,-3.7 2,-0.2 5,-0.4 0.798 360.0 62.7 -85.3 -37.4 -24.0 21.7 -10.7 3 3 A V H > S+ 0 0 19 46,-0.4 4,-0.7 2,-0.2 5,-0.2 0.910 107.6 46.3 -50.0 -44.4 -26.7 24.4 -10.9 4 4 A E H >> S+ 0 0 54 2,-0.2 4,-3.5 3,-0.2 3,-0.6 0.987 122.4 32.3 -64.1 -64.9 -26.3 24.1 -14.7 5 5 A Q H 3X S+ 0 0 70 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.892 111.2 61.7 -59.4 -48.7 -26.3 20.2 -14.9 6 6 A a H 3< S+ 0 0 0 -4,-3.7 22,-2.4 1,-0.2 5,-0.3 0.760 121.9 27.5 -55.5 -21.8 -28.7 19.5 -12.0 7 7 A b H << S+ 0 0 44 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.2 0.833 127.9 38.6-104.7 -48.8 -31.2 21.5 -14.0 8 8 A A H < S+ 0 0 95 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.1 0.903 137.4 0.5 -71.9 -42.7 -30.3 21.1 -17.7 9 9 A S S < S- 0 0 66 -4,-1.7 2,-0.3 -5,-0.3 -3,-0.1 0.355 102.5 -81.0-107.9-117.0 -29.2 17.4 -17.5 10 10 A V - 0 0 51 17,-0.1 2,-0.3 2,-0.0 17,-0.2 -0.974 35.8-162.7-154.7 148.4 -29.4 15.4 -14.2 11 11 A a E -A 26 0A 0 15,-2.0 15,-2.5 -5,-0.3 2,-0.3 -0.837 13.6-127.2-130.4 169.1 -27.2 15.1 -11.1 12 12 A S E >> -A 25 0A 27 -2,-0.3 4,-1.6 13,-0.2 3,-1.4 -0.864 26.1-117.6-115.1 152.7 -26.8 12.7 -8.1 13 13 A L H 3> S+ 0 0 45 11,-0.5 4,-1.1 -2,-0.3 -1,-0.1 0.854 116.6 59.5 -56.8 -37.7 -26.7 13.4 -4.4 14 14 A Y H 34 S+ 0 0 144 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.780 105.1 50.5 -58.8 -30.7 -23.1 12.2 -4.2 15 15 A Q H X4 S+ 0 0 67 -3,-1.4 3,-1.3 1,-0.2 4,-0.3 0.815 106.4 54.2 -74.0 -32.5 -22.3 15.0 -6.8 16 16 A L H >< S+ 0 0 0 -4,-1.6 3,-0.9 1,-0.3 -2,-0.2 0.719 92.5 73.2 -72.9 -18.2 -24.1 17.4 -4.5 17 17 A E G >< S+ 0 0 91 -4,-1.1 3,-0.6 1,-0.2 -1,-0.3 0.667 85.5 68.8 -65.1 -14.2 -21.7 16.3 -1.8 18 18 A N G < S+ 0 0 132 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.820 91.4 57.0 -73.7 -31.7 -19.1 18.3 -3.6 19 19 A Y G < S+ 0 0 57 -3,-0.9 28,-1.8 -4,-0.3 -1,-0.2 0.406 85.8 103.1 -83.3 3.3 -20.6 21.6 -2.8 20 20 A c B < B 46 0B 14 -3,-0.6 26,-0.3 26,-0.2 25,-0.1 -0.519 360.0 360.0 -80.7 151.9 -20.5 21.1 1.0 21 21 A N 0 0 99 24,-2.1 -1,-0.1 -2,-0.2 24,-0.1 0.029 360.0 360.0 -61.2 360.0 -18.0 22.7 3.3 22 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 23 1 B F 0 0 171 0, 0.0 2,-0.1 0, 0.0 -9,-0.1 0.000 360.0 360.0 360.0 113.2 -30.0 7.9 -4.0 24 2 B V - 0 0 104 1,-0.1 2,-0.6 -12,-0.0 -11,-0.5 -0.354 360.0 -64.1-106.5-172.4 -31.1 8.0 -7.7 25 3 B N E -A 12 0A 109 -13,-0.1 2,-0.4 -2,-0.1 -13,-0.2 -0.707 56.2-162.3 -80.5 120.1 -30.7 10.6 -10.6 26 4 B Q E -A 11 0A 83 -15,-2.5 -15,-2.0 -2,-0.6 2,-0.8 -0.849 20.1-144.6-107.8 136.1 -32.6 13.8 -9.7 27 5 B H + 0 0 119 -2,-0.4 2,-0.5 -17,-0.2 -20,-0.2 -0.875 32.7 178.2 -94.1 103.9 -33.7 16.6 -12.0 28 6 B L + 0 0 19 -22,-2.4 2,-0.3 -2,-0.8 -20,-0.1 -0.934 5.8 169.3-119.5 119.6 -33.3 19.7 -9.7 29 7 B b > - 0 0 37 -2,-0.5 3,-1.0 -22,-0.1 4,-0.2 -0.936 48.4 -23.7-127.6 147.4 -34.0 23.2 -10.7 30 8 B G T >> S- 0 0 28 -2,-0.3 3,-1.7 1,-0.2 4,-0.9 -0.246 126.2 -1.3 63.5-135.0 -34.3 26.6 -9.0 31 9 B S H 3> S+ 0 0 38 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.844 125.5 68.3 -60.5 -39.0 -35.2 26.6 -5.3 32 10 B H H <> S+ 0 0 130 -3,-1.0 4,-1.2 1,-0.2 -1,-0.3 0.662 97.0 57.3 -51.3 -20.6 -35.4 22.7 -5.2 33 11 B L H <> S+ 0 0 1 -3,-1.7 4,-1.9 2,-0.2 3,-0.4 0.965 105.0 43.5 -82.0 -54.1 -31.7 22.7 -5.8 34 12 B V H X S+ 0 0 0 -4,-0.9 4,-1.7 1,-0.2 -2,-0.2 0.779 113.5 57.6 -60.6 -22.0 -30.5 24.7 -2.8 35 13 B E H X S+ 0 0 48 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.890 103.1 49.6 -72.9 -44.1 -33.0 22.7 -0.8 36 14 B A H X S+ 0 0 11 -4,-1.2 4,-2.4 -3,-0.4 -2,-0.2 0.849 109.2 54.5 -61.0 -35.8 -31.4 19.4 -1.9 37 15 B L H X>S+ 0 0 1 -4,-1.9 4,-2.5 2,-0.2 5,-0.6 0.910 102.8 56.0 -63.0 -42.0 -28.1 20.9 -0.8 38 16 B Y H X5S+ 0 0 61 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.926 112.3 42.6 -53.4 -47.8 -29.6 21.6 2.7 39 17 B L H <5S+ 0 0 128 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.908 117.0 45.7 -65.1 -45.3 -30.4 17.9 3.0 40 18 B V H <5S+ 0 0 34 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.758 128.3 24.0 -71.6 -28.3 -27.1 16.6 1.6 41 19 B c H ><5S+ 0 0 13 -4,-2.5 3,-1.8 -5,-0.2 -3,-0.2 0.784 78.2 161.5-107.0 -40.8 -24.8 19.0 3.6 42 20 B G G ><> 0 0 35 0, 0.0 4,-1.5 0, 0.0 3,-1.2 0.000 360.0 360.0 360.0-132.2 -23.9 34.1 12.1 55 2 C I H 3> + 0 0 2 1,-0.3 4,-3.0 47,-0.3 5,-0.4 0.740 360.0 48.3 -45.0 -54.1 -27.1 33.4 10.1 56 3 C V H 3>>S+ 0 0 40 1,-0.2 5,-2.0 2,-0.2 4,-1.7 0.835 110.3 54.0 -61.7 -35.8 -28.8 30.9 12.4 57 4 C E H <4>S+ 0 0 107 -3,-1.2 5,-1.7 3,-0.2 -1,-0.2 0.966 118.2 33.7 -60.9 -53.3 -28.3 33.1 15.5 58 5 C Q H <5S+ 0 0 68 -4,-1.5 -2,-0.2 3,-0.2 -1,-0.2 0.842 129.1 34.4 -70.6 -36.8 -29.9 36.2 13.8 59 6 C d H <5S+ 0 0 0 -4,-3.0 22,-3.0 -5,-0.2 5,-0.3 0.809 128.2 23.2 -98.2 -34.1 -32.5 34.4 11.8 60 7 C e T <5S+ 0 0 33 -4,-1.7 -3,-0.2 -5,-0.4 22,-0.1 0.886 126.5 40.7 -97.3 -63.1 -33.7 31.4 13.6 61 8 C A T - 0 0 24 -2,-0.3 4,-0.8 13,-0.2 13,-0.1 -0.292 35.6-103.3 -88.2-177.1 -35.1 41.3 8.0 66 13 C L H > S+ 0 0 58 11,-0.3 4,-0.8 2,-0.2 12,-0.1 0.664 118.7 61.5 -84.9 -14.6 -34.4 40.6 4.3 67 14 C Y H 4 S+ 0 0 147 2,-0.2 4,-0.4 1,-0.2 3,-0.4 0.886 99.3 54.6 -73.9 -40.9 -31.6 43.1 4.3 68 15 C Q H >4 S+ 0 0 63 1,-0.2 3,-1.1 2,-0.2 -2,-0.2 0.857 102.6 57.7 -60.6 -38.0 -29.6 41.2 6.9 69 16 C L H >< S+ 0 0 0 -4,-0.8 3,-2.4 1,-0.2 -1,-0.2 0.851 91.3 70.4 -58.9 -36.2 -29.8 38.0 4.7 70 17 C E G >< S+ 0 0 80 -4,-0.8 3,-2.1 -3,-0.4 -1,-0.2 0.718 78.8 78.0 -58.8 -24.8 -28.1 39.8 1.8 71 18 C N G < S+ 0 0 123 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.1 0.567 91.4 55.4 -57.8 -10.8 -24.9 39.9 3.8 72 19 C Y G < S+ 0 0 28 -3,-2.4 28,-1.4 -4,-0.1 -1,-0.3 0.294 78.2 115.5-108.4 6.4 -24.6 36.2 2.8 73 20 C f B < D 99 0B 13 -3,-2.1 26,-0.3 26,-0.2 25,-0.1 -0.545 360.0 360.0 -75.0 143.5 -24.7 36.7 -0.9 74 21 C N 0 0 99 24,-2.0 -1,-0.1 -26,-0.2 24,-0.1 0.104 360.0 360.0 -65.0 360.0 -21.6 35.8 -2.7 75 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 76 1 D F 0 0 187 0, 0.0 -9,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 120.5 -40.2 44.0 4.4 77 2 D V - 0 0 100 -12,-0.1 2,-0.5 1,-0.1 -11,-0.3 -0.191 360.0 -98.8 -83.4 178.5 -41.1 42.3 7.7 78 3 D N - 0 0 98 -13,-0.1 2,-0.3 -12,-0.1 -13,-0.2 -0.915 44.8-165.2-106.5 124.7 -39.0 40.5 10.3 79 4 D Q B -E 64 0C 88 -15,-2.5 -15,-1.6 -2,-0.5 2,-0.7 -0.838 27.9-132.9-120.9 140.7 -39.1 36.7 10.0 80 5 D H - 0 0 115 -2,-0.3 2,-0.6 -17,-0.2 -20,-0.2 -0.857 35.9-173.1 -85.3 114.7 -38.2 33.6 12.1 81 6 D L + 0 0 22 -22,-3.0 2,-0.3 -2,-0.7 -20,-0.1 -0.880 9.7 165.5-124.0 102.0 -36.3 31.6 9.5 82 7 D e > - 0 0 46 -2,-0.6 3,-1.4 -22,-0.1 4,-0.3 -0.831 46.3 -16.5-121.7 150.7 -35.2 28.1 10.4 83 8 D G T >> S- 0 0 24 -2,-0.3 4,-1.0 1,-0.3 3,-0.5 -0.298 126.6 -12.5 65.4-137.5 -34.0 25.0 8.5 84 9 D S H 3> S+ 0 0 25 1,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.685 128.9 71.7 -70.5 -17.4 -34.5 24.9 4.8 85 10 D H H <> S+ 0 0 125 -3,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.922 97.8 50.7 -62.9 -40.2 -36.9 27.9 5.1 86 11 D L H <> S+ 0 0 0 -3,-0.5 4,-2.7 -4,-0.3 -2,-0.2 0.922 110.9 46.2 -57.7 -52.2 -33.8 29.9 5.8 87 12 D V H X S+ 0 0 0 -4,-1.0 4,-3.1 2,-0.2 -2,-0.2 0.908 111.2 53.5 -59.8 -44.1 -31.9 28.6 2.7 88 13 D E H X S+ 0 0 63 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.894 110.0 48.5 -51.9 -46.0 -35.1 29.2 0.7 89 14 D A H X S+ 0 0 17 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.943 110.9 50.0 -58.9 -51.3 -35.0 32.8 2.0 90 15 D L H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.953 110.2 49.9 -51.5 -57.1 -31.3 33.1 1.1 91 16 D Y H X S+ 0 0 60 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.871 111.5 48.5 -50.4 -47.5 -31.9 31.8 -2.4 92 17 D L H < S+ 0 0 140 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.940 116.8 40.2 -60.9 -52.5 -34.8 34.3 -3.0 93 18 D V H < S+ 0 0 44 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.903 124.2 37.5 -62.1 -43.2 -32.9 37.3 -1.8 94 19 D f H >< S+ 0 0 8 -4,-2.9 3,-1.0 -5,-0.3 2,-0.3 0.919 77.6 160.0 -85.8 -49.5 -29.5 36.5 -3.4 95 20 D G G >< + 0 0 24 -4,-2.2 3,-1.0 -5,-0.3 -1,-0.2 -0.453 66.7 9.6 72.2-122.0 -30.4 34.9 -6.7 96 21 D E G 3 S+ 0 0 139 -2,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.618 123.4 61.8 -77.0 -19.0 -27.7 34.8 -9.5 97 22 D R G < S- 0 0 123 -3,-1.0 -1,-0.3 1,-0.1 -2,-0.2 0.751 99.3-153.5 -64.7 -28.1 -24.9 35.9 -7.1 98 23 D G < - 0 0 0 -3,-1.0 -24,-2.0 -7,-0.2 2,-0.2 -0.146 8.3-127.8 66.3-173.7 -25.7 32.7 -5.2 99 24 D F E -CD 48 73B 0 -51,-0.9 -51,-3.1 -26,-0.3 2,-0.4 -0.857 2.7-110.8-154.4-178.4 -24.9 32.5 -1.5 100 25 D F E -C 47 0B 53 -28,-1.4 2,-0.7 -2,-0.2 -53,-0.2 -0.995 13.3-160.1-133.7 130.7 -23.3 30.6 1.4 101 26 D Y E +C 46 0B 12 -55,-2.3 -55,-1.9 -2,-0.4 -14,-0.0 -0.889 21.6 162.8-112.2 101.3 -24.9 28.7 4.2 102 27 D T + 0 0 29 -2,-0.7 -47,-0.3 -57,-0.2 -46,-0.2 -0.880 12.6 174.8-122.2 99.7 -22.6 28.2 7.1 103 28 D P S S+ 0 0 27 0, 0.0 -1,-0.1 0, 0.0 -58,-0.1 0.317 76.8 62.8 -83.3 5.5 -24.3 27.3 10.4 104 29 D K 0 0 158 -60,-0.2 -59,-0.1 -48,-0.0 -60,-0.0 0.853 360.0 360.0 -92.2 -46.5 -20.9 26.8 12.2 105 30 D A 0 0 108 -3,-0.1 -3,-0.1 0, 0.0 0, 0.0 -0.213 360.0 360.0 -52.1 360.0 -19.5 30.4 12.0